نتایج جستجو برای: dim calculations
تعداد نتایج: 116897 فیلتر نتایج به سال:
چکیده ندارد.
abstract the influence of cation?? and anion?? interactions on the strength and nature of n…h hydrogen bond has been investigated by quantum chemical calculations in s-triazine…3hf complex. ab initio calculations were performed at mp2/6-311++g(d,p) level of theory. the natural bond orbital (nbo) analysis and the bader’s quantum theory of atoms in molecules (aim) were also used to elucidate t...
Synopsis We present calculations of charge exchange and vibrational excitation cross sections in low energy p+H2 collisions. These cross sections are obtained by means of an hemiquantal treatment which uses Diatomics In Molecules (DIM) diabatic wavefunctions of the H3 molecule. The hemiquantal approach allows to distinguish the nonreactive, dissociative and nuclear exchange contributions to the...
Extending our previous study on the title species (J. Phys. Chem. A2010, 114, 6787), we investigated the dimer cations that are formed on oxidation of the glucobrassin derivatives indole-3-carbinol (I3C) and diindolylmethane (DIM) and of parent indole (I). Radiolysis in ionic liquid and Ar matrices shows that, at sufficiently high concentrations and/or on annealing the solid glasses, intense in...
فرض کنید (r,m) یک حلقه ی موضعی (نوتری) وi وj دوایده آل واقعی از r باشند. فرض کنید m یک -rمدول غیرصفر با تولیدمتناهی باشد. دراین پایان نامه خواص آخرین مدول کوهمولوژی موضعی h_(i,j)^dim?m (m) بررسی می شود و بعضی نتایج در مورد ایده آل های اول چسبیده ی مدول های کوهمولوژی موضعی h_(i,j)^dim?m (m) را به دست می آوریم. به عنوان نتیجه یک مدول خارج قسمتی مانند l...
We present new population synthesis calculations of close young neutron stars. In comparison with our previous investigation we use a different neutron star mass spectrum and different initial spatial and velocity distributions. The results confirm that most of ROSAT dim radioquiet isolated neutron stars had their origin in the Gould Belt. Several tens of young neutron stars can be identified i...
Confronting the predictions of numerical calculations with observations is an important tool to progress with our understanding of the mechanism triggering the outbursts of dwarf novae and soft X-ray transients. Simultaneous multi-wavelength observations are of particular importance in this process as they contain information about the chronology of the outbursts as e.g. the famous UV-delay obs...
By constructing suitable project operators and using the coincidence degree theory due to Mawhin, the existence of solutions for (k, n−k−2) conjugate boundary-value problems at resonance with dimkerL = 2 is obtained.
Conventional wisdom holds that the circadian pacemaker of rodents and humans is minimally responsive to light of the intensity provided by dim moonlight and starlight. However, dim illumination (<0.005 lux) provided during the daily dark periods markedly alters entrainment in hamsters. Under dimly lit scotophases, compared to completely dark ones phases, the upper range of entrainment is increa...
Recent experimental studies of both A and B state photoexcitation of I2 and the ensuing many-body dynamics in rare gas matrices by Apkarian and co-workers are simulated using the methods we presented in an earlier work combining nonadiabatic molecular dynamics with semiempirical diatomics-in-molecules ~DIM! excited state electronic structure techniques. We extend our DIM methods to compute the ...
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